Chembase list of 866358 unique molecular structures

methyl 2-cyclopropyl-4-methyl-6-sulfanylidene-1,6-dihydropyrimidine-5-carboxylat...

$$$$ Data

M. F.

C10H12N2O2S

Suppliers	Catalog Number
Enamine	EN300-29722

Database	Data ID
PubChem	26695427

M. W.

224.27948

CAS

Similarity

N/A

ID: 254502

5-chloro-2-nitrobenzene-1-sulfonyl chloride

$$$$ Data

M. F.

C6H3Cl2NO4S

Suppliers	Catalog Number
Enamine	EN300-29724

Database	Data ID
PubChem	11673295

M. W.

256.06332

CAS

Similarity

N/A

ID: 254503

methyl [(4-methylphenyl)carbamoyl]formate

$$$$ Data

M. F.

C10H11NO3

Suppliers	Catalog Number
Enamine	EN300-29726

Database	Data ID
PubChem	10726432

M. W.

193.19924

CAS

Similarity

N/A

ID: 254504

1-[(4-methylphenyl)methyl]-4-nitro-1H-imidazole

$$$$ Data

M. F.

C11H11N3O2

Suppliers	Catalog Number
Enamine	EN300-29728

Database	Data ID
PubChem	20711134

M. W.

217.22394

CAS

Similarity

N/A

ID: 254505

5-chloro-2-cyanobenzene-1-sulfonyl chloride

$$$$ Data

M. F.

C7H3Cl2NO2S

Suppliers	Catalog Number
Enamine	EN300-29730
Bide Pharmatech	BD230431

Database	Data ID
PubChem	16792538

M. W.

236.07522

CAS

411210-92-9

Similarity

N/A

ID: 254506

1-(3-bromophenyl)cyclopentane-1-carboxylic acid

$$$$ Data

M. F.

C12H13BrO2

Suppliers	Catalog Number
Enamine	EN300-29733

Database	Data ID
PubChem	15742725

M. W.

269.13442

CAS

143328-23-8

Similarity

N/A

ID: 254507

methyl 4-(2-chloroacetamido)-1-methyl-1H-pyrrole-2-carboxylate

$$$$ Data

M. F.

C9H11ClN2O3

Suppliers	Catalog Number
Enamine	EN300-29734

Database	Data ID
PubChem	25524421

M. W.

230.64824

CAS

Similarity

N/A

ID: 254508

1-(cyclohexylmethyl)-5-(trichloroacetyl)-1H-pyrrole-3-sulfonyl chloride

$$$$ Data

M. F.

C13H15Cl4NO3S

Suppliers	Catalog Number
Enamine	EN300-29735

Database	Data ID
PubChem	42943775

M. W.

407.1401

CAS

Similarity

N/A

ID: 254509

1-benzyl-1H-pyrrole-2-carboxylic acid

$$$$ Data

M. F.

C12H11NO2

Suppliers	Catalog Number
Enamine	EN300-29736

Database	Data ID
PubChem	14985839

M. W.

201.22124

CAS

18159-22-3

Similarity

N/A

ID: 254510

5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl chloride

$$$$ Data

M. F.

C9H11ClN2O3S

Suppliers	Catalog Number
Enamine	EN300-29737

Database	Data ID
PubChem	42943776

M. W.

262.71324

CAS

Similarity

N/A

ID: 254511

5-(1-chloroethyl)-3-(furan-2-yl)-1,2,4-oxadiazole

$$$$ Data

M. F.

C8H7ClN2O2

Suppliers	Catalog Number
Enamine	EN300-29738

Database	Data ID
PubChem	43810477

M. W.

198.60638

CAS

Similarity

N/A

ID: 254512

5-(chloromethyl)-3-cyclopropyl-1,2,4-oxadiazole

$$$$ Data

M. F.

C6H7ClN2O

Suppliers	Catalog Number
ChemBridge	4032175
Enamine	EN300-29739

Database	Data ID
PubChem	15924311

M. W.

158.58558

CAS

119223-01-7

Similarity

N/A

ID: 254513

5-(1-chloroethyl)-3-cyclopropyl-1,2,4-oxadiazole

$$$$ Data

M. F.

C7H9ClN2O

Suppliers	Catalog Number
Enamine	EN300-29740

Database	Data ID
PubChem	43113902

M. W.

172.61216

CAS

Similarity

N/A

ID: 254514

5,6-dimethyl-3-oxo-2,3-dihydropyridazine-4-carbothioamide

$$$$ Data

M. F.

C7H9N3OS

Suppliers	Catalog Number
Enamine	EN300-29741

Database	Data ID
PubChem	25524429

M. W.

183.23086

CAS

Similarity

N/A

ID: 254515

N-(4-carbamothioylphenyl)propanamide

$$$$ Data

M. F.

C10H12N2OS

Suppliers	Catalog Number
Enamine	EN300-29746

Database	Data ID
PubChem	25524458

M. W.

208.28008

CAS

Similarity

N/A

ID: 254516

4-(chloromethyl)-2-(3-fluorophenyl)-1,3-oxazole

$$$$ Data

M. F.

C10H7ClFNO

Suppliers	Catalog Number
Enamine	EN300-29747

Database	Data ID
PubChem	22241447

M. W.

211.6200832

CAS

Similarity

N/A

ID: 254517

4-(chloromethyl)-2-(2,4-dimethylphenyl)-1,3-oxazole

$$$$ Data

M. F.

C12H12ClNO

Suppliers	Catalog Number
Enamine	EN300-29749

Database	Data ID
PubChem	25524419

M. W.

221.68278

CAS

Similarity

N/A

ID: 254518

2-(4-fluorophenoxymethyl)-1,3-thiazole-4-carboxylic acid

$$$$ Data

M. F.

C11H8FNO3S

Suppliers	Catalog Number
Enamine	EN300-29751

Database	Data ID
PubChem	17541243

M. W.

253.2495232

CAS

Similarity

N/A

ID: 254519

2-[2-(thiophen-2-yl)-1,3-oxazol-4-yl]acetonitrile

$$$$ Data

M. F.

C9H6N2OS

Suppliers	Catalog Number
Enamine	EN300-29753

Database	Data ID
PubChem	26695420

M. W.

190.22174

CAS

Similarity

N/A

ID: 254520

3-(chloromethyl)-5-(4-chlorophenyl)-1,2,4-oxadiazole

$$$$ Data

M. F.

C9H6Cl2N2O

Suppliers	Catalog Number
Enamine	EN300-29755

Database	Data ID
PubChem	12569952

M. W.

229.06274

CAS

73217-30-8

Similarity

N/A

ID: 254521

4-(chloromethyl)-2-(3-chlorophenyl)-1,3-oxazole

$$$$ Data

M. F.

C10H7Cl2NO

Suppliers	Catalog Number
Enamine	EN300-29756

Database	Data ID
PubChem	25587518

M. W.

228.07468

CAS

Similarity

N/A

ID: 254522

8-methyl-3H,4H,5H-pyridazino[4,5-b]indole-4-thione

$$$$ Data

M. F.

C11H9N3S

Suppliers	Catalog Number
Enamine	EN300-29760

Database	Data ID
PubChem	25524476

M. W.

215.27426

CAS

Similarity

N/A

ID: 254523

8-fluoro-3H,4H,5H-pyridazino[4,5-b]indole-4-thione

$$$$ Data

M. F.

C10H6FN3S

Suppliers	Catalog Number
Enamine	EN300-29761

Database	Data ID
PubChem	25524389

M. W.

219.2381432

CAS

Similarity

N/A

ID: 254524

2-[4-(pyridin-2-yloxy)phenoxy]acetic acid

$$$$ Data

M. F.

C13H11NO4

Suppliers	Catalog Number
Enamine	EN300-29762

Database	Data ID
PubChem	17541238

M. W.

245.23074

CAS

Similarity

N/A

ID: 254525

[1-(4-methoxyphenyl)ethyl](methyl)amine

$$$$ Data

M. F.

C10H15NO

Suppliers	Catalog Number
ChemBridge	4004541
Enamine	EN300-29763

Database	Data ID
PubChem	3115585

M. W.

165.2322

CAS

41684-13-3

Similarity

N/A

ID: 254526

2,7-dimethyl-5-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine

$$$$ Data

M. F.

C9H12F3N3

Suppliers	Catalog Number
Enamine	EN300-29764

Database	Data ID
PubChem	17541236

M. W.

219.2068896

CAS

Similarity

N/A

ID: 254527

5-carbamoyl-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid

$$$$ Data

M. F.

C11H11N3O3

Suppliers	Catalog Number
Enamine	EN300-29765

Database	Data ID
PubChem	42943780

M. W.

233.22334

CAS

Similarity

N/A

ID: 254528

4-(2-methyl-1,3-oxazol-4-yl)aniline

$$$$ Data

M. F.

C10H10N2O

Suppliers	Catalog Number
Enamine	EN300-29768

Database	Data ID
PubChem	15514362

M. W.

174.1992

CAS

Similarity

N/A

ID: 254529

2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide

$$$$ Data

M. F.

C11H14N2O

Suppliers	Catalog Number
Enamine	EN300-29769

Database	Data ID
PubChem	43185134

M. W.

190.24166

CAS

Similarity

N/A

ID: 254530

1-{5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}ethan-1-amine

$$$$ Data

M. F.

C13H14F3N3

Suppliers	Catalog Number
Enamine	EN300-29770

Database	Data ID
PubChem	17541235

M. W.

269.2655696

CAS

Similarity

N/A

ID: 254531

hexahydro-2H-1λ⁶,5-[1λ⁶]thieno[2,3-c]pyrrole-1,1-dione

$$$$ Data

M. F.

C6H11NO2S

Suppliers	Catalog Number
Enamine	EN300-29772

Database	Data ID
PubChem	42942931

M. W.

161.22204

CAS

Similarity

N/A

ID: 254532

4-[(1,1,3-trioxo-2,3-dihydro-1λ⁶,2-benzothiazol-2-yl)methyl]benzoic ...

$$$$ Data

M. F.

C15H11NO5S

Suppliers	Catalog Number
Enamine	EN300-29774

Database	Data ID
PubChem	2197105

M. W.

317.31654

CAS

Similarity

N/A

ID: 254533

1-benzyl-3-(2-methylphenyl)-1H-pyrazol-5-amine

$$$$ Data

M. F.

C17H17N3

Suppliers	Catalog Number
Enamine	EN300-29775

Database	Data ID
PubChem	16770210

M. W.

263.33698

CAS

Similarity

N/A

ID: 254534

ethyl 3-amino-1-benzyl-4-cyano-1H-pyrrole-2-carboxylate

$$$$ Data

M. F.

C15H15N3O2

Suppliers	Catalog Number
Enamine	EN300-29779

Database	Data ID
PubChem	16228237

M. W.

269.2985

CAS

Similarity

N/A

ID: 254535

3-amino-1,1,1-trifluorobutan-2-ol hydrochloride

$$$$ Data

M. F.

C4H9ClF3NO

Suppliers	Catalog Number
Enamine	EN300-29780

Database	Data ID
PubChem	14503245

M. W.

179.5685696

CAS

Similarity

N/A

ID: 254536

2-chloro-N-(4-methoxy-6-oxo-1,6-dihydropyrimidin-2-yl)acetamide

$$$$ Data

M. F.

C7H8ClN3O3

Suppliers	Catalog Number
Enamine	EN300-29781

Database	Data ID
PubChem	25504116

M. W.

217.60972

CAS

Similarity

N/A

ID: 254537

5-methyl-1-(4-methylphenyl)-1H-pyrazole-4-carboxylic acid

$$$$ Data

M. F.

C12H12N2O2

Suppliers	Catalog Number
Enamine	EN300-29782

Database	Data ID
PubChem	2769583

M. W.

216.23588

CAS

288251-47-8

Similarity

N/A

ID: 254538

4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]morpholine

$$$$ Data

M. F.

C7H9ClN2O3S2

Suppliers	Catalog Number
Enamine	EN300-29783

Database	Data ID
PubChem	25524462

M. W.

268.74096

CAS

Similarity

N/A

ID: 254539

(2E)-3-[4-(pyridin-4-ylmethoxy)phenyl]prop-2-enoic acid

$$$$ Data

M. F.

C15H13NO3

Suppliers	Catalog Number
Enamine	EN300-29784

Database	Data ID
PubChem	16228213

M. W.

255.26862

CAS

Similarity

N/A

ID: 254540

6-chloro-8-nitroquinoline

$$$$ Data

M. F.

C9H5ClN2O2

Suppliers	Catalog Number
Enamine	EN300-29787

Database	Data ID
PubChem	110462

M. W.

208.6012

CAS

68527-66-2

Similarity

N/A

ID: 254541

3-(propane-1-sulfonamido)benzoic acid

$$$$ Data

M. F.

C10H13NO4S

Suppliers	Catalog Number
Enamine	EN300-29788

Database	Data ID
PubChem	16228262

M. W.

243.27952

CAS

Similarity

N/A

ID: 254542

1-benzyl-3-(3-methylphenyl)-1H-pyrazol-5-amine

$$$$ Data

M. F.

C17H17N3

Suppliers	Catalog Number
Enamine	EN300-29789

Database	Data ID
PubChem	16769168

M. W.

263.33698

CAS

Similarity

N/A

ID: 254543

3-ethanesulfonamidobenzoic acid

$$$$ Data

M. F.

C9H11NO4S

Suppliers	Catalog Number
Enamine	EN300-29790

Database	Data ID
PubChem	836756

M. W.

229.25294

CAS

Similarity

N/A

ID: 254544

1-benzyl-3-tert-butyl-1H-pyrazol-5-amine

$$$$ Data

M. F.

C14H19N3

Suppliers	Catalog Number
Enamine	EN300-29791

Database	Data ID
PubChem	16769290

M. W.

229.32076

CAS

Similarity

N/A

ID: 254545

ethyl (3E)-4-[(3-methoxyphenyl)amino]-2-oxobut-3-enoate

$$$$ Data

M. F.

C13H15NO4

Suppliers	Catalog Number
Enamine	EN300-29793

Database	Data ID
PubChem	25392081

M. W.

249.2625

CAS

Similarity

N/A

ID: 254546

1-[3-(1H-1,2,3,4-tetrazol-1-yl)phenyl]ethan-1-ol

$$$$ Data

M. F.

C9H10N4O

Suppliers	Catalog Number
Enamine	EN300-29795

Database	Data ID
PubChem	16769788

M. W.

190.2019

CAS

Similarity

N/A

ID: 254547

6-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}pyridin-3-amine

$$$$ Data

M. F.

C12H13N3S

Suppliers	Catalog Number
Enamine	EN300-29796

Database	Data ID
PubChem	16777781

M. W.

231.31672

CAS

Similarity

N/A

ID: 254548

N-(5-amino-2-methoxyphenyl)methanesulfonamide

$$$$ Data

M. F.

C8H12N2O3S

Suppliers	Catalog Number
ChemBridge	4033867
Enamine	EN300-29797

Database	Data ID
PubChem	10775094

M. W.

216.25748

CAS

123343-92-0

Similarity

N/A

ID: 254549

2-{[(tert-butoxy)carbonyl]amino}-4-methylpentanoic acid

$$$$ Data

M. F.

C11H21NO4

Suppliers	Catalog Number
Enamine	EN300-29803
A&J Pharmtech	AJA-O38888

Database	Data ID
PubChem	268473

M. W.

231.28874

CAS

64727-35-1

Similarity

N/A

ID: 254550

{[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl}(methyl)amine hydrochloride

$$$$ Data

M. F.

C12H15ClN2O2

Suppliers	Catalog Number
Enamine	EN300-29805

Database	Data ID
PubChem	42929097

M. W.

254.7127

CAS

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified